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Glutaric acid, hexadecyl 2-methyloct-5-yn-4-yl ester

View entire compound with spectra: 1 NMR

Glutaric acid, hexadecyl 2-methyloct-5-yn-4-yl ester
SpectraBase Compound ID CZKjhpA6OtR
InChI InChI=1S/C30H54O4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-25-33-29(31)23-21-24-30(32)34-28(22-8-6-2)26-27(3)4/h27-28H,5-7,9-21,23-26H2,1-4H3
InChIKey LRNSQMUZMFZLEF-UHFFFAOYSA-N
Mol Weight 478.8 g/mol
Molecular Formula C30H54O4
Exact Mass 478.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EGJ6gpvFsYw
Name Glutaric acid, hexadecyl 2-methyloct-5-yn-4-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.402210215 u
Formula C30H54O4
InChI InChI=1S/C30H54O4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-25-33-29(31)23-21-24-30(32)34-28(22-8-6-2)26-27(3)4/h27-28H,5-7,9-21,23-26H2,1-4H3
InChIKey LRNSQMUZMFZLEF-UHFFFAOYSA-N
Molecular Weight 478.758 g/mol
SMILES CC(CC(OC(CCCC(OCCCCCCCCCCCCCCCC)=O)=O)C#CCC)C